Atomic-level structure of the amorphous drug atuliflapon NMR crystallography.

We determine the complete atomic-level structure of the amorphous form of the drug atuliflapon, a 5-lipooxygenase activating protein (FLAP) inhibitor, chemical-shift-driven NMR crystallography. The ensemble of preferred structures allows us to identify a number of specific conformations and interactions that stabilize the amorphous structure. These include preferred hydrogen-bonding motifs with water and with other drug molecules, as well as conformations of the cyclohexane and pyrazole rings that stabilize structure by indirectly allowing for optimization of hydrogen bonding.

Strategic attitude expressions as identity performance and identity creation in interaction.

We assess the strategic alignment of attitudes and the active construction of attitude-based identity across two studies. Study one assessed the twitter response (hashtags in English) to the war in Ukraine for five months after Russia's first invasion of Ukraine 2022 (N = 8149). Results demonstrated that individuals publicly expressed hashtags similar to others close to them in the followership network, showing their support for Ukraine and condemnation of the Russian invasion in qualitatively different ways.

Not our kind of crowd! How partisan bias distorts perceptions of political bots on Twitter (now X).

Social bots, employed to manipulate public opinion, pose a novel threat to digital societies. Existing bot research has emphasized technological aspects while neglecting psychological factors shaping human-bot interactions. This research addresses this gap within the context of the US-American electorate.

Applying 3D surface scanning technology to create photorealistic three-dimensional printed replicas of human anatomy.

To describe advances in 3D data capture and printing that allow photorealistic replicas of human anatomical specimens for education and research, and discuss advantages of current generation printing for replica design and manufacture. We combine surface scanning and computerized tomography datasets that maximize precise color and geometric capture with ultra violet (UV) curable resin printing to replicate human anatomical specimens. We describe the process for color control, print design and translation of photorealistic 3D meshes into 3D prints in durable resins.

The likes that bind: Even novel opinion sharing can induce opinion-based identification.

Research has found that psychological groups based on opinion congruence are an important group type. Previous research constructed such groups around opinions potentially connected to pre-existing identities. We strip away the socio-structural context by using novel opinions to determine whether opinion congruence alone can be a category cue which can foster identification and whether such group identification mediates the relationship between opinion exposure and opinion polarization.

Do deepfake videos undermine our epistemic trust? A thematic analysis of tweets that discuss deepfakes in the Russian invasion of Ukraine.

Deepfakes are a form of multi-modal media generated using deep-learning technology. Many academics have expressed fears that deepfakes present a severe threat to the veracity of news and political communication, and an epistemic crisis for video evidence. These commentaries have often been hypothetical, with few real-world cases of deepfake's political and epistemological harm.

Using word embeddings to analyse audience effects and individual differences in parenting Subreddits.

This paper explores how individuals' language use in gender-specific groups ("mothers" and "fathers") compares to their interactions when referred to as "parents." Language adaptation based on the audience is well-documented, yet large-scale studies of naturally-occurring audience effects are rare. To address this, we investigate audience and gender effects in the context of parenting, where gender plays a significant role.

Attitude networks as intergroup realities: Using network-modelling to research attitude-identity relationships in polarized political contexts.

We apply a newly developed attitude network-modelling technique (Response-Item Network, or ResIN) to study attitude-identity relationships in the context of hot-button issues that polarize the current US-American electorate. The properties of the network-method allow us to simultaneously depict differences in the structural organization of attitudes between groups and to explore the relevance of organized attitude-systems for group identity management. Individuals based on a sample of US-American crowd workers (N = 396) and the representative 2020 ANES data set (N = 8280), we model an attitude network with two conflictive partisan belief-systems.

Agent-based null models for examining experimental social interaction networks.

We consider the analysis of temporal data arising from online interactive social experiments, which is complicated by the fact that classical independence assumptions about the observations are not satisfied. Therefore, we propose an approach that compares the output of a fitted (linear) model from the observed interaction data to that generated by an assumed agent-based null model. This allows us to discover, for example, the extent to which the structure of social interactions differs from that of random interactions.

Sharing is caring: How sharing opinions online can connect people into groups and foster identification.

Computer mediated communication has marked differences from the face-to-face context. One major difference is that, in the online context, we often have explicit access to others' opinions and these opinions are often the only informational cues available. We investigate if awareness of opinion congruence, in the absence of any other reference categories, may be sufficient to foster social identification.

Becoming "us" in digital spaces: How online users creatively and strategically exploit social media affordances to build up social identity.

Social media has become a major platform for information-exchange, discourse, and protest and has been linked to a wide range of pressing macro developments. Consequenlty, there is significant interest from scholars as well as from the wider publuc to understand how social media affordances interact with human behavior. In attempts to address these demands, the present article borrows from the social identity tradition to explain group formation processes in Web 2.

Mapping the global opinion space to explain anti-vaccine attraction.

Vaccines save millions of lives every year. They are recommended by experts, trusted by the majority of people, and promoted by expensive health campaigns. Even so, people with neutral attitudes are more persuaded by people holding anti-vaccine than pro-vaccine attitudes.

Pandemic threat and group cohesion: national identification in the wake of COVID-19 is associated with authoritarianism.

Authoritarianism emerges in times of societal threat, in part driven by desires for group-based security. As such, we propose that the threat caused by the COVID-19 pandemic was associated with increased authoritarian tendencies and that this can be partially explained by increased national identification. We tested this hypothesis by collecting cross-sectional data from three different countries in April 2020.

Structure determination of an amorphous drug through large-scale NMR predictions.

Knowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic resonance (NMR) is among the most popular methods to characterize amorphous materials, and molecular dynamics (MD) simulations can help describe the structure of disordered materials. However, directly relating MD to NMR experiments in molecular solids has been out of reach until now because of the large size of these simulations.

Controlled Pulmonary Delivery of Carrier-Free Budesonide Dry Powder by Atomic Layer Deposition.

Ideal controlled pulmonary drug delivery systems provide sustained release by retarding lung clearance mechanisms and efficient lung deposition to maintain therapeutic concentrations over prolonged time. Here, we use atomic layer deposition (ALD) to simultaneously tailor the release and aerosolization properties of inhaled drug particles without the need for lactose carrier. In particular, we deposit uniform nanoscale oxide ceramic films, such as AlO, TiO, and SiO, on micronized budesonide particles, a common active pharmaceutical ingredient for the treatment of respiratory diseases.

Generalized mean-field approximation for the Deffuant opinion dynamics model on networks.

When the interactions of agents on a network are assumed to follow the Deffuant opinion dynamics model, the outcomes are known to depend on the structure of the underlying network. This behavior cannot be captured by existing mean-field approximations for the Deffuant model. In this paper, a generalized mean-field approximation is derived that accounts for the effects of network topology on Deffuant dynamics through the degree distribution or community structure of the network.

Policymaking through a knowledge lens: Using the embodied-enacted-inscribed knowledge framework to illuminate the transfer of knowledge in a mental health policy consultation process - A South African case study.

Background: Marrying principles of evidence-based policymaking, with its focus on what works, with principles of consultative policymaking, with its focus on what works for whom, means finding ways to integrate multiple knowledge inputs into policy decisions. Viewed through the lens of the embodied-enacted-inscribed knowledge framework, policy consultation is a site of knowledge enactment, where the embodied knowledge enacted by individuals engages with the inscribed knowledge contained in policy documents, creating new forms of embodied and inscribed knowledge that move beyond these spaces.

Aim: Using this knowledge framework, this study aimed to trace the movement of knowledge inputs through South Africa's mental health policy consultation summit.

A Novel 3-Dimensional Printing Fabrication Approach for the Production of Pediatric Airway Models.

Background: Pediatric airway models currently available for use in education or simulation do not replicate anatomy or tissue responses to procedures. Emphasis on mass production with sturdy but homogeneous materials and low-fidelity casting techniques diminishes these models' abilities to realistically represent the unique characteristics of the pediatric airway, particularly in the infant and younger age ranges. Newer fabrication technologies, including 3-dimensional (3D) printing and castable tissue-like silicones, open new approaches to the simulation of pediatric airways with greater anatomical fidelity and utility for procedure training.

The reproduction of human pathology specimens using three-dimensional (3D) printing technology for teaching purposes.

The teaching of medical pathology has undergone significant change in the last 30-40 years, especially in the context of employing bottled specimens or 'pots' in classroom settings. The reduction in post-mortem based teaching in medical training programs has resulted in less focus being placed on the ability of students to describe the gross anatomical pathology of specimens. Financial considerations involved in employing staff to maintain bottled specimens, space constraints and concerns with health and safety of staff and student laboratories have meant that many institutions have decommissioned their pathology collections.

The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate.

The crystal structure of diaquabis(omeprazolate)magnesium dihydrate (DABOMD) in the solid state has been determined using single-crystal X-ray diffraction. Single crystals of DABOMD were obtained by slow crystallization in ethanol with water used as an antisolvent. The crystal structure shows a dihydrated salt comprising a magnesium cation coordinating two omeprazolate anions and two water molecules (W1) that are strongly bound to magnesium.

Mapping public health responses with attitude networks: the emergence of opinion-based groups in the UK's early COVID-19 response phase.

Partisan patterns of compliance with public health measures are a feature of early COVID-19 responses. In many cases, these differences in behaviour relate to pre-existing group identities. However, in times of rapid societal change, novel opinion-based groups can emerge and provide a new basis for partisan identification and divergent collective behaviour.

Agreement threshold on Axelrod's model of cultural dissemination.

Shared opinions are an important feature in the formation of social groups. In this paper, we use the Axelrod model of cultural dissemination to represent opinion-based groups. In the Axelrod model, each agent has a set of features which each holds one of a set of nominally related traits.

The romantic imperative: discourses of romance and heterosexual marriage.

The contact hypothesis predicts that positive contact will reform attitudes towards the out-group and lead to less prejudice as a result. In contexts facing ongoing gender inequality - such as South Africa - romance is usually seen as a beneficial point of contact between unequal groups (heterosexual men and women), because of the sense of intimacy it brings. We investigated romantic practices in a discursive-ethnographic study, by recruiting five young, westernised, middleclass South African couples and interviewing them a number of times about romance and their relationships.

Making consultation meaningful: Insights from a case study of the South African mental health policy consultation process.

Background: It is widely recognised that mental health policies should be developed in consultation with those tasked with their implementation and the users affected by them. In the South African legislative context public participation in policymaking is assumed, with little guidance on how to conduct consultation processes, nor how to use consultation inputs in policy decisions.

Methods: The South African Mental Health Policy Framework and Strategic Plan was adopted in 2013 after an extensive consultation process.